Account (3S,4aR,5aS,6S,9R,9aR,11aS,11bR)-9-((2R,5R,E)-5,6-dimethylhept-3-en-2-yl)-6-methoxy-9a,11b-dimethyl-1,2,3,4,5a,6,7,8,9,9a,10,11,11a,11b-tetradecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxiren-3-ol
- Catalog No. :
- ACZXUI479
- CAS No. :
- 1207441-49-3
- Molecular Formula :
- C29H46O3
- Molecular Weight :
- 442.68
IUPAC Name:(3S,4aR,5aS,6S,9R,9aR,11aS,11bR)-9-((2R,5R,E)-5,6-dimethylhept-3-en-2-yl)-6-methoxy-9a,11b-dimethyl-1,2,3,4,5a,6,7,8,9,9a,10,11,11a,11b-tetradecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxiren-3-ol
![(3S,4aR,5aS,6S,9R,9aR,11aS,11bR)-9-((2R,5R,E)-5,6-dimethylhept-3-en-2-yl)-6-methoxy-9a,11b-dimethyl-1,2,3,4,5a,6,7,8,9,9a,10,11,11a,11b-tetradecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxiren-3-ol structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (3S,4aR,5aS,6S,9R,9aR,11aS,11bR)-9-((2R,5R,E)-5,6-dimethylhept-3-en-2-yl)-6-methoxy-9a,11b-dimethyl-1,2,3,4,5a,6,7,8,9,9a,10,11,11a,11b-tetradecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxiren-3-ol |
|---|---|
| IUPAC Name | (3S,4aR,5aS,6S,9R,9aR,11aS,11bR)-9-((2R,5R,E)-5,6-dimethylhept-3-en-2-yl)-6-methoxy-9a,11b-dimethyl-1,2,3,4,5a,6,7,8,9,9a,10,11,11a,11b-tetradecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxiren-3-ol |
| Molecular Formula | C29H46O3 |
| Molecular Weight | 442.68 |
| SMILES | CO[C@H]1C2=C3CC[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@H](O)C[C@@]23O[C@@H]13 |
| InChI Key | BJTPDQYXZBBHFO-MCNHYONISA-N |
| Synonym | Ergosta-8(14),22-dien-3-ol, 5,6-epoxy-7-methoxy-, (3β,5α,6α,7α,22E)-;7α-Methoxy-5α,6α- epoxyergosta-8(14),22-dien-3β-ol;7α-Methoxy-5α,6α-epoxyergosta-8(14),22-dien-3β-ol;5α,6α-Epoxy-7α-methoxyergosta-8(14),22-dien-3β-ol |
| CAS No. | 1207441-49-3 |
Synthetic Route by SureRoute
2. ACZXUI479 Molecular Building Block Synthetic Route
(3S,4aR,5aS,6S,6bR,9R,9aR,11bR)-9-((2R,5R,E)-5,6-dimethylhept-3-en-2-yl)-9a,11b-dimethyl-1,2,3,4,5a,6,6b,7,8,9,9a,10,11,11b-tetradecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxirene-3,6-diol
16,23-Oxidoalisol B
(1'S,2R,3'S,4a'R,5'S,6'S,8'S,11'R,12'R,12a'S)-1',6',12'-trihydroxy-9',12a',13',13'-tetramethyl-2',3',4a',5',6',7',8',11',12',12a'-decahydro-1'H-spiro[oxirane-2,4'-[6,10]methanobenzo[10]annulene]-3',5',8',11'-tetrayl tetraacetate